Y500-7058 Screening compound: 5-({1-[4-(tert-butyl)phenyl]ethyl}amino)-5-oxopentanoic acid

Y500-7058 Screening compound: 5-({1-[4-(tert-butyl)phenyl]ethyl}amino)-5-oxopentanoic acid
Y500-7058 Screening compound: 5-({1-[4-(tert-butyl)phenyl]ethyl}amino)-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-7058
5-({1-[4-(tert-butyl)phenyl]ethyl}amino)-5-oxopentanoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y500-7058

Molecular Formula

C17H25NO3 (C17 H25 NO3)

Compound Name

5-({1-[4-(tert-butyl)phenyl]ethyl}amino)-5-oxopentanoic acid

IUPAC name

4-{[1-(4-tert-butylphenyl)ethyl]carbamoyl}butanoic acid

SMILES

CC(c1ccc(C(C)(C)C)cc1)NC(CCCC(O)=O)=O

InChI

InChI=1S/C17H25NO3/c1-12(18-15(19)6-5-7-16(20)21)13-8-10-14(11-9-13)17(2,3)4/h8-12H,5-7H2,1-4H3,(H,18,19)(H,20,21)/t12-/m0/s1

InChI Key

ULTCLJCTNYJUGU-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.678

Distribution Coefficient, logD

0.081

Water Solubility, LogSw

-3.07

Polar Surface Area

52.257

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

Y500-7058 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y500-7058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-7058?
Check Price and Availability of Y500-7058, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y500-7058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-7058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-7058
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y500-7058 available by request